5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide

C8H7BrClN3O2 — CID 91094439

IUPAC5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide
SMILESNN(C(=O)CCl)C(=O)c1cncc(Br)c1
InChIInChI=1S/C8H7BrClN3O2/c9-6-1-5(3-12-4-6)8(15)13(11)7(14)2-10/h1,3-4H,2,11H2
InChIKeyVSTUZOVEXLPGHD-UHFFFAOYSA-N
MW292.52 g/mol
LogP0.93
Rot. Bonds2

About 5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide

5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide (PubChem CID 91094439) has the molecular formula C8H7BrClN3O2 and a molecular weight of 292.52 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide
PubChem CID91094439
Molecular FormulaC8H7BrClN3O2
Molecular Weight292.52 g/mol
Exact Mass290.94
IUPAC Name5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide
SMILESNN(C(=O)CCl)C(=O)c1cncc(Br)c1
InChIInChI=1S/C8H7BrClN3O2/c9-6-1-5(3-12-4-6)8(15)13(11)7(14)2-10/h1,3-4H,2,11H2
InChIKeyVSTUZOVEXLPGHD-UHFFFAOYSA-N
XLogP0.93
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide?
The IUPAC name of 5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide (CID 91094439) is 5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide?
The canonical SMILES for 5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide is NN(C(=O)CCl)C(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide?
The InChIKey is VSTUZOVEXLPGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3O2/c9-6-1-5(3-12-4-6)8(15)13(11)7(14)2-10/h1,3-4H,2,11H2.
What are the key properties of 5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide?
5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide has a molecular weight of 292.52 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 91094439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).